Porphyrins as Building Blocks for Molecular Magnetic Materials

这个职业奖是在有机动力学项目中获得的，以支持大卫·舒尔茨博士的研究和教学活动。本研究将著重于四芳基卟啉分子磁性材料的设计、合成与表征。卟啉核将提供有机自由基基团的附着位点以及金属的结合位点，允许通过与多齿配体的络合制备扩展材料，包括电荷转移配合物和配位聚合物。具体地说，具有四个自由基取代基的金属四芳基卟啉单元将被氧化成可以进行高自旋耦合的五元体系。表征将通过EPR，晶体结构测定和磁力计测量。磁化测量将通过分子内自旋-自旋相互作用的分子模型加以补充。Schultz博士的教学计划将侧重于开发用于有机化学结构和反应三维可视化的动画软件。一个显著的特点是将动画整合到北卡罗来纳州立大学的有机化学课程中，并通过马赛克万维网将其提供给化学社区。基于金属卟啉的有机磁性材料对磁性分子基础的基本理解及其在磁性涂层和复合材料以及生物系统中自由基探针的可能应用具有固有的兴趣。研究生和本科生参与研究的实施将具有重要的教育价值。

North Carolina State U. This CAREER award is made in the Organic Dynamics Program in support of the research and teaching activities of Dr. David Schultz. The research will focus on the design, synthesis, and characterization of molecular magnetic materials based on tetraarylporphyrins. The porphyrin nucleus will provide sites for attaching organic free radical groups as well as binding sites for metals, allowing for the preparation of extended materials including charge transfer complexes and coordination polymers through complexation with multidentate ligands. Specifically, metal tetraarylporphyrin units with four free radical substituents will be oxidized to give pentaradical systems which can undergo high spin coupling. Characterization will be by EPR, crystallographic structure determination and magnetometer measurements. Magnetization measurements will be complemented by molecular modeling of intramolecular spin-spin interactions. Dr. Schultz' teaching plan will focus on the development of animation software for three dimensional visualization of organic chemistry structures and reactions. A salient feature will be incorporating the animations into the organic chemistry courses at North Carolina State and making them available to the chemistry community via the Mosaic World-Wide-Web. Metal porphyrin-based organic magnetic materials are of inherent interest both for a fundamental understanding of the molecular basis of magnetism and their possible application to magnetic coatings and composites and radical probes in biological systems. The involvement of both graduate and undergraduate students in the implementation of the research will have a significant educational value.